CID 6481908

(5s)-5-[(4-chlorophenoxy)methyl]-3-(2-furyl)-3-(imidazol-1-ylmethyl)-2-methyl-isoxazolidine

Structural Information

Molecular Formula
C19H20ClN3O3
SMILES
CN1C(C[C@H](O1)COC2=CC=C(C=C2)Cl)(CN3C=CN=C3)C4=CC=CO4
InChI
InChI=1S/C19H20ClN3O3/c1-22-19(18-3-2-10-24-18,13-23-9-8-21-14-23)11-17(26-22)12-25-16-6-4-15(20)5-7-16/h2-10,14,17H,11-13H2,1H3/t17-,19?/m0/s1
InChIKey
FPYODQBNLNTFDN-KKFHFHRHSA-N
Compound name
(5S)-5-[(4-chlorophenoxy)methyl]-3-(furan-2-yl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.11932 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12660 182.9
[M+Na]+ 396.10854 192.5
[M-H]- 372.11204 194.1
[M+NH4]+ 391.15314 195.9
[M+K]+ 412.08248 189.7
[M+H-H2O]+ 356.11658 173.9
[M+HCOO]- 418.11752 199.0
[M+CH3COO]- 432.13317 194.4
[M+Na-2H]- 394.09399 182.0
[M]+ 373.11877 189.8
[M]- 373.11987 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.